N-(1-cyclohexylideneethyl)pentan-2-imine

C13H23N — CID 123216517

IUPACN-(1-cyclohexylideneethyl)pentan-2-imine
SMILESCCC/C(C)=N/C(C)=C1CCCCC1
InChIInChI=1S/C13H23N/c1-4-8-11(2)14-12(3)13-9-6-5-7-10-13/h4-10H2,1-3H3/b14-11+
InChIKeySTOIEZDFGAEXPY-SDNWHVSQSA-N
MW193.33 g/mol
LogP4.49
Rot. Bonds3

About N-(1-cyclohexylideneethyl)pentan-2-imine

N-(1-cyclohexylideneethyl)pentan-2-imine (PubChem CID 123216517) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cyclohexylideneethyl)pentan-2-imine.

Molecular Properties

Compound NameN-(1-cyclohexylideneethyl)pentan-2-imine
PubChem CID123216517
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cyclohexylideneethyl)pentan-2-imine
SMILESCCC/C(C)=N/C(C)=C1CCCCC1
InChIInChI=1S/C13H23N/c1-4-8-11(2)14-12(3)13-9-6-5-7-10-13/h4-10H2,1-3H3/b14-11+
InChIKeySTOIEZDFGAEXPY-SDNWHVSQSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 145086520
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
2,3,4-Triethylazete
CID 57185997
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
5-butyl-2,4-dimethyl-3H-pyrrole
CID 58851256
(3S,4R)-2,3,4,5,6-pentamethyl-3,4-dihydropyridine
CID 60123254
2,4-dimethyl-5-propan-2-yl-3H-pyrrole
CID 68249327
4-methyl-2,5-di(propan-2-yl)-3H-pyrrole
CID 68404428
2,3,4,5,6-Pentamethyl-3,4-dihydropyridine
CID 72655828
2,5,6-Trimethyl-3,4-dihydropyridine
CID 88990187
2-ethyl-4,5-dimethyl-3H-pyrrole
CID 89100809
N-(2-methylcyclohexen-1-yl)propan-2-imine
CID 117663366

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylideneethyl)pentan-2-imine?
The IUPAC name of N-(1-cyclohexylideneethyl)pentan-2-imine (CID 123216517) is N-(1-cyclohexylideneethyl)pentan-2-imine.
What is the SMILES notation for N-(1-cyclohexylideneethyl)pentan-2-imine?
The canonical SMILES for N-(1-cyclohexylideneethyl)pentan-2-imine is CCC/C(C)=N/C(C)=C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylideneethyl)pentan-2-imine?
The InChIKey is STOIEZDFGAEXPY-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N/c1-4-8-11(2)14-12(3)13-9-6-5-7-10-13/h4-10H2,1-3H3/b14-11+.
What are the key properties of N-(1-cyclohexylideneethyl)pentan-2-imine?
N-(1-cyclohexylideneethyl)pentan-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylideneethyl)pentan-2-imine is sourced from PubChem (CID 123216517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).